7-[(2,4-dichlorophenyl)methyl]-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,4-dichlorophenyl)methyl]-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(2,4-dichlorophenyl)methyl]-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0413 |
| Compound Name: | 7-[(2,4-dichlorophenyl)methyl]-8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 464.39 |
| Molecular Formula: | C22 H27 Cl2 N5 O2 |
| Smiles: | CCC1CCCCN1Cc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccc(cc1[Cl])[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7926 |
| logD: | 4.741 |
| logSw: | -4.8384 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.225 |
| InChI Key: | ZMBJSXXUJSGJRD-INIZCTEOSA-N |